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Details

Stereochemistry ABSOLUTE
Molecular Formula C24H37NO8
Molecular Weight 467.5534
Optical Activity UNSPECIFIED
Defined Stereocenters 6 / 6
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of PENBUTOLOL GLUCURONIDE

SMILES

CC(C)(C)NC[C@@]([H])(COc1ccccc1C2CCCC2)O[C@@]3([H])[C@@]([H])([C@]([H])([C@@]([H])([C@@]([H])(C(=O)O)O3)O)O)O

InChI

InChIKey=GHZVTNGCFPYEGC-YEKYASBRSA-N
InChI=1S/C24H37NO8/c1-24(2,3)25-12-15(32-23-20(28)18(26)19(27)21(33-23)22(29)30)13-31-17-11-7-6-10-16(17)14-8-4-5-9-14/h6-7,10-11,14-15,18-21,23,25-28H,4-5,8-9,12-13H2,1-3H3,(H,29,30)/t15-,18-,19-,20+,21-,23+/m0/s1

HIDE SMILES / InChI

Molecular Formula C24H37NO8
Molecular Weight 467.5534
Charge 0
Count
Stereochemistry ABSOLUTE
Additional Stereochemistry No
Defined Stereocenters 6 / 6
E/Z Centers 0
Optical Activity UNSPECIFIED

Approval Year

Substance Class Chemical
Created
by admin
on Sat Jun 26 12:46:17 UTC 2021
Edited
by admin
on Sat Jun 26 12:46:17 UTC 2021
Record UNII
PW9E1R0AW6
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
PENBUTOLOL GLUCURONIDE
Common Name English
.BETA.-D-GLUCOPYRANOSIDURONIC ACID, 2-(2-CYCLOPENTYLPHENOXY)-1-(((1,1-DIMETHYLETHYL)AMINO)METHYL)ETHYL, (S)-
Systematic Name English
Code System Code Type Description
FDA UNII
PW9E1R0AW6
Created by admin on Sat Jun 26 12:46:17 UTC 2021 , Edited by admin on Sat Jun 26 12:46:17 UTC 2021
PRIMARY
CAS
86073-06-5
Created by admin on Sat Jun 26 12:46:17 UTC 2021 , Edited by admin on Sat Jun 26 12:46:17 UTC 2021
PRIMARY
PUBCHEM
13933749
Created by admin on Sat Jun 26 12:46:17 UTC 2021 , Edited by admin on Sat Jun 26 12:46:17 UTC 2021
PRIMARY
EPA CompTox
86073-06-5
Created by admin on Sat Jun 26 12:46:17 UTC 2021 , Edited by admin on Sat Jun 26 12:46:17 UTC 2021
PRIMARY
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